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Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation 期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
Authors:  Shao, Ming-Zhe;  Wang, Yan-Ting;  Zhou, Xin
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MOLECULAR-DYNAMICS SIMULATION  POTENTIAL MODEL  WATER  ICE  CRYSTALLIZATION  INTERFACE  
Real-time mass spectrometric characterization of the solid-electrolyte interphase of a lithium-ion battery 期刊论文
NATURE NANOTECHNOLOGY, 2020, 卷号: 15, 期号: 3, 页码: 224
Authors:  Zhou, Yufan;  Su, Mao;  Yu, Xiaofei;  Zhang, Yanyan;  Wang, Jun-Gang;  Ren, Xiaodi;  Cao, Ruiguo;  Xu, Wu;  Baer, Donald R.;  Du, Yingge;  Borodin, Oleg;  Wang, Yanting;  Wang, Xue-Lin;  Xu, Kang;  Xu, Zhijie;  Wang, Chongmin;  Zhu, Zihua
Favorite  |  View/Download:47/0  |  Submit date:2020/06/16
FORCE-FIELD  DYNAMICS  LIQUID  METAL  INTERFACE  GRAPHITE  SURFACE  SIMULATIONS  EFFICIENCY  ENERGY  
Phase Behaviors of Ionic Liquids Heating from Different Crystal Polymorphs toward the Same Smectic-A Ionic Liquid Crystal by Molecular Dynamics Simulation 期刊论文
CRYSTALS, 2019, 卷号: 9, 期号: 1, 页码: 26
Authors:  Cao, WD;  Wang, YT
Adobe PDF(4363Kb)  |  Favorite  |  View/Download:106/1  |  Submit date:2019/07/19
SPATIAL HETEROGENEITY  ATOMIC CHARGES  CHAIN-LENGTH  TRANSITION  INSIGHTS  DIFFUSION  STATE  
Metastable State during Melting and Solid-Solid Phase Transition of [C&ITn&ITMim][NO3] (&ITn&IT=4-12) Ionic Liquids by Molecular Dynamics Simulation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 卷号: 122, 期号: 1, 页码: 229-239
Authors:  Cao, WD;  Wang, YT;  Saielli, G
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HEXAFLUOROPHOSPHATE SALTS  CHAIN-LENGTH  FORCE-FIELD  CRYSTALS  BEHAVIOR  DIFFUSION  INSIGHTS  SYSTEMS  
The Parallel Performance Optimization of The MS-CG Method 会议论文
PROCEEDINGS OF 2018 7TH INTERNATIONAL CONFERENCE ON SOFTWARE AND COMPUTER APPLICATIONS (ICSCA 2018), Kuantan, MALAYSIA, FEB 08-10, 2018
Authors:  Wang, T;  Xu, J;  Wang, YT;  Cao, WD;  He, BJ
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MOLECULAR-DYNAMICS  
Template-based and free modeling of I-TASSER and QUARK pipelines using predicted contact maps in CASP12 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 页码: 136-151
Authors:  Zhang, CX;  Mortuza, SM;  He, BJ;  Wang, YT;  Zhang, Y
Adobe PDF(2416Kb)  |  Favorite  |  View/Download:98/0  |  Submit date:2018/12/27
PROTEIN-STRUCTURE PREDICTION  RESIDUE CONTACTS  SEQUENCE  ALIGNMENTS  ACCURACY  NETWORKS  ROLL  
Molecular Origin of Donor- and Acceptor-Rich Domain Formation in Bulk-Heterojunction Solar Cells with an Enhanced Charge Transport Efficiency 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 卷号: 121, 期号: 11, 页码: 5864-5870
Authors:  Long, GK;  Shi, R;  Zhou, YC;  Li, AL;  Kan, B;  Wu, WR;  Jeng, US;  Xu, T;  Yan, TY;  Zhang, MT;  Yang, X;  Sun, LT;  Gray-Weale, A;  Wan, XJ;  Zhang, HT;  Li, CX;  Wang, YT;  Chen, YS;  Chen, YS (reprint author), Nankai Univ, Sch Mat Sci & Engn, Collaborat Innovat Ctr Chem Sci & Engn, State Key Lab & Inst Elemento Organ Chem, Tianjin 300071, Peoples R China.;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 E Zhongguancun Rd,P Box 2735, Beijing 100190, Peoples R China.
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Surface structure of ionic liquids under an external electric field 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 期号: 13-16, 页码: 1295-1299
Authors:  Shi, R;  Wang, YT;  Shi, R (reprint author), Univ Tokyo, Inst Ind Sci, Dept Fundamental Engn, Tokyo, Japan.;  Shi, R (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, Beijing, Peoples R China.
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Ionic Liquids  Surface  Molecular Dynamics Simulation  Electric Field  
NeBcon: protein contact map prediction using neural network training coupled with naiive Bayes classifiers 期刊论文
BIOINFORMATICS, 2017, 卷号: 33, 期号: 15, 页码: 2296-2306
Authors:  He, BJ;  Mortuza, SM;  Wang, YT;  Shen, HB;  Zhang, Y;  Zhang, Y (reprint author), Univ Michigan, Dept Computat Med & Bioinformat, Ann Arbor, MI 48109 USA.;  Zhang, Y (reprint author), Univ Michigan, Dept Biol Chem, Ann Arbor, MI 48109 USA.
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Dual Ionic and Organic Nature of Ionic Liquids 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 19644
Authors:  Shi, R;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
Adobe PDF(1219Kb)  |  Favorite  |  View/Download:98/5  |  Submit date:2017/10/13